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The News of Altai State University
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Content of 3(37) 2005

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S.A. Beznosyuk, A.A. Perezhogin, L.V. Fomina

Computer modeling of capture of a proton, molecules of hydrogen and methane in cellular multistructures of water and amorphous ice

At various pressure and temperatures within the limits of quantum-field chemistry and thermo field dynamics the computer model of calculation of a multistructural structure of the condensed state of water and an amorphous ice is offered. In work features of power barriers of capture and transport in cellular multistructures of water for cautions H3O+, H5O2+, and also for go-ahead carry of a proton are studied. Some results of modeling and calculation of power barriers of capture and transport of molecules CH4 and H2 in cellular multistructures of an amorphous ice allow to interpret known experimental proofs of an opportunity of storage of these molecules of hydrogen fuel in the amorphous phases of ice received at low temperatures and high pressures. It is drawn a conclusion that the supercooled and glassy ice provides storage and exchange of molecules of methane, but not molecules of hydrogen.

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